5-Phenyl-2-[(5-phenyl-2H-tetrazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-ol
Basic information
- CAS
6604-12-2- Standard SMILES
O=c1[nH]c(Cn2nnc(-c3ccccc3)n2)nc2scc(-c3ccccc3)c12- InChIKey
YRQAHIGGASPYJP-UHFFFAOYSA-N- Molecular formula
- C20H14N6OS
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.09498026
Names & identifiers
- Preferred name
- 5-Phenyl-2-[(5-phenyl-2H-tetrazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-ol
- IUPAC
- 5-phenyl-2-[(5-phenyltetrazol-2-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
Names & synonyms
SMR0000622856604-12-2MLS000096465MLS002636614CHEMBL1428932DTXSID10984504HMS2289E105-Phenyl-2-[(5-phenyl-2H-tetrazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-olAKOS034438314Z53798826
Database identifiers
- CAS
6604-12-2- PubChem CID
- 2385273
- DTXSID
DTXSID10984504- ChEMBL
CHEMBL1428932
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 604
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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